2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium

C11H11NY-2 — CID 59837476

IUPAC2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium
SMILES[CH2-]C([CH2-])(C#N)c1ccc(C)cc1.[Y]
InChIInChI=1S/C11H11N.Y/c1-9-4-6-10(7-5-9)11(2,3)8-12;/h4-7H,2-3H2,1H3;/q-2;
InChIKeyVLQYLIDQRZXUKD-UHFFFAOYSA-N
MW246.12 g/mol
LogP2.42
Rot. Bonds1

About 2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium

2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium (PubChem CID 59837476) has the molecular formula C11H11NY-2 and a molecular weight of 246.12 g/mol. Its IUPAC name is 2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium.

Molecular Properties

Compound Name2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium
PubChem CID59837476
Molecular FormulaC11H11NY-2
Molecular Weight246.12 g/mol
Exact Mass246.00
IUPAC Name2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium
SMILES[CH2-]C([CH2-])(C#N)c1ccc(C)cc1.[Y]
InChIInChI=1S/C11H11N.Y/c1-9-4-6-10(7-5-9)11(2,3)8-12;/h4-7H,2-3H2,1H3;/q-2;
InChIKeyVLQYLIDQRZXUKD-UHFFFAOYSA-N
XLogP2.42
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium?
The IUPAC name of 2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium (CID 59837476) is 2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium.
What is the SMILES notation for 2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium?
The canonical SMILES for 2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium is [CH2-]C([CH2-])(C#N)c1ccc(C)cc1.[Y].
What is the InChIKey of 2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium?
The InChIKey is VLQYLIDQRZXUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.Y/c1-9-4-6-10(7-5-9)11(2,3)8-12;/h4-7H,2-3H2,1H3;/q-2;.
What are the key properties of 2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium?
2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium has a molecular weight of 246.12 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-2-(4-methylphenyl)propanenitrile;yttrium is sourced from PubChem (CID 59837476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).